1-ethyl-2-[(3-methoxyphenyl)methyl]-3-[2-(3-methylmorpholin-4-yl)propyl]guanidine;hydroiodide

C19H33IN4O2 — CID 111836986

IUPAC1-ethyl-2-[(3-methoxyphenyl)methyl]-3-[2-(3-methylmorpholin-4-yl)propyl]guanidine;hydroiodide
SMILESCCN/C(=N\Cc1cccc(OC)c1)NCC(C)N1CCOCC1C.I
InChIInChI=1S/C19H32N4O2.HI/c1-5-20-19(22-13-17-7-6-8-18(11-17)24-4)21-12-15(2)23-9-10-25-14-16(23)3;/h6-8,11,15-16H,5,9-10,12-14H2,1-4H3,(H2,20,21,22);1H
InChIKeyFQSMYRTUOLFCNN-UHFFFAOYSA-N
MW476.40 g/mol
LogP2.48
Rot. Bonds7

About 1-ethyl-2-[(3-methoxyphenyl)methyl]-3-[2-(3-methylmorpholin-4-yl)propyl]guanidine;hydroiodide

1-ethyl-2-[(3-methoxyphenyl)methyl]-3-[2-(3-methylmorpholin-4-yl)propyl]guanidine;hydroiodide (PubChem CID 111836986) has the molecular formula C19H33IN4O2 and a molecular weight of 476.40 g/mol. Its IUPAC name is 1-ethyl-2-[(3-methoxyphenyl)methyl]-3-[2-(3-methylmorpholin-4-yl)propyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-2-[(3-methoxyphenyl)methyl]-3-[2-(3-methylmorpholin-4-yl)propyl]guanidine;hydroiodide
PubChem CID111836986
Molecular FormulaC19H33IN4O2
Molecular Weight476.40 g/mol
Exact Mass476.16
IUPAC Name1-ethyl-2-[(3-methoxyphenyl)methyl]-3-[2-(3-methylmorpholin-4-yl)propyl]guanidine;hydroiodide
SMILESCCN/C(=N\Cc1cccc(OC)c1)NCC(C)N1CCOCC1C.I
InChIInChI=1S/C19H32N4O2.HI/c1-5-20-19(22-13-17-7-6-8-18(11-17)24-4)21-12-15(2)23-9-10-25-14-16(23)3;/h6-8,11,15-16H,5,9-10,12-14H2,1-4H3,(H2,20,21,22);1H
InChIKeyFQSMYRTUOLFCNN-UHFFFAOYSA-N
XLogP2.48
TPSA58.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.40
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-[(3-methoxyphenyl)methyl]-2-methyl-3-[2-(3-methylmorpholin-4-yl)propyl]guanidine;hydroiodide
CID 111837034
1-ethyl-2-[(3-methoxyphenyl)methyl]-3-(2-methylpropyl)guanidine
CID 111180513
1-ethyl-3-[2-(3-methylmorpholin-4-yl)propyl]-2-[[4-(trifluoromethyl)phenyl]methyl]guanidine
CID 111840579
1-ethyl-3-(2-morpholin-4-ylpropyl)-2-[(3-propan-2-yloxyphenyl)methyl]guanidine;hydroiodide
CID 111022168
1-ethyl-3-[2-(3-methylmorpholin-4-yl)propyl]-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 111839279
1-ethyl-2-[(3-methoxyphenyl)methyl]-3-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111250808
1-ethyl-2-[(3-methoxyphenyl)methyl]-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111251656
1-ethyl-2-[(3-methoxyphenyl)methyl]-3-[(2-morpholin-4-ylphenyl)methyl]guanidine;hydroiodide
CID 111249924
1-ethyl-2-[(3-methoxyphenyl)methyl]-3-(3-morpholin-4-ylpropyl)guanidine
CID 110972299
1-ethyl-2,3-bis[(3-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111249108
1-ethyl-3-(2-methylpropyl)-2-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine
CID 111180353
1-ethyl-3-[2-hydroxy-3-(2-methylpropoxy)propyl]-2-[(3-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111249504

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(3-methoxyphenyl)methyl]-3-[2-(3-methylmorpholin-4-yl)propyl]guanidine;hydroiodide?
The IUPAC name of 1-ethyl-2-[(3-methoxyphenyl)methyl]-3-[2-(3-methylmorpholin-4-yl)propyl]guanidine;hydroiodide (CID 111836986) is 1-ethyl-2-[(3-methoxyphenyl)methyl]-3-[2-(3-methylmorpholin-4-yl)propyl]guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-2-[(3-methoxyphenyl)methyl]-3-[2-(3-methylmorpholin-4-yl)propyl]guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-2-[(3-methoxyphenyl)methyl]-3-[2-(3-methylmorpholin-4-yl)propyl]guanidine;hydroiodide is CCN/C(=N\Cc1cccc(OC)c1)NCC(C)N1CCOCC1C.I.
What is the InChIKey of 1-ethyl-2-[(3-methoxyphenyl)methyl]-3-[2-(3-methylmorpholin-4-yl)propyl]guanidine;hydroiodide?
The InChIKey is FQSMYRTUOLFCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2.HI/c1-5-20-19(22-13-17-7-6-8-18(11-17)24-4)21-12-15(2)23-9-10-25-14-16(23)3;/h6-8,11,15-16H,5,9-10,12-14H2,1-4H3,(H2,20,21,22);1H.
What are the key properties of 1-ethyl-2-[(3-methoxyphenyl)methyl]-3-[2-(3-methylmorpholin-4-yl)propyl]guanidine;hydroiodide?
1-ethyl-2-[(3-methoxyphenyl)methyl]-3-[2-(3-methylmorpholin-4-yl)propyl]guanidine;hydroiodide has a molecular weight of 476.40 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(3-methoxyphenyl)methyl]-3-[2-(3-methylmorpholin-4-yl)propyl]guanidine;hydroiodide is sourced from PubChem (CID 111836986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).